BindingDB Reactant_set_id Ligand SMILES Ligand InChI Ligand InChI Key BindingDB MonomerID BindingDB Ligand Name Target Name Target Source Organism According to Curator or DataSource Ki (nM) IC50 (nM) Kd (nM) EC50 (nM) kon (M-1-s-1) koff (s-1) pH Temp (C) Curation/DataSource Article DOI BindingDB Entry DOI PMID PubChem AID Patent Number Authors Institution Link to Ligand in BindingDB Link to Target in BindingDB Link to Ligand-Target Pair in BindingDB Ligand HET ID in PDB PDB ID(s) for Ligand-Target Complex PubChem CID of Ligand PubChem SID of Ligand ChEBI ID of Ligand ChEMBL ID of Ligand DrugBank ID of Ligand IUPHAR_GRAC ID of Ligand KEGG ID of Ligand ZINC ID of Ligand Number of Protein Chains in Target (>1 implies a multichain complex) BindingDB Target Chain Sequence PDB ID(s) of Target Chain UniProt (SwissProt) Recommended Name of Target Chain UniProt (SwissProt) Entry Name of Target Chain UniProt (SwissProt) Primary ID of Target Chain UniProt (SwissProt) Secondary ID(s) of Target Chain UniProt (SwissProt) Alternative ID(s) of Target Chain UniProt (TrEMBL) Submitted Name of Target Chain UniProt (TrEMBL) Entry Name of Target Chain UniProt (TrEMBL) Primary ID of Target Chain UniProt (TrEMBL) Secondary ID(s) of Target Chain UniProt (TrEMBL) Alternative ID(s) of Target Chain 201828 CC1C(=O)S[C@](C)(\C=C(/C)C=C)C1=O InChI=1S/C11H14O2S/c1-5-7(2)6-11(4)9(12)8(3)10(13)14-11/h5-6,8H,1H2,2-4H3/b7-6+/t8?,11-/m1/s1 IKJRVRCIDNWYPZ-CXQVHHQOSA-N 50241313 (5R)-4-hydroxy-3,5-dimethyl-5-[(1E)-2-methylbuta-1,3-dienyl]thiophen-2(5H)-one::(R)-(+)-Thiolactomycin::(R)-4-Hydroxy-3,5-dimethyl-5-((E)-2-methyl-buta-1,3-dienyl)-5H-thiophen-2-one::(R,E)-4-hydroxy-3,5-dimethyl-5-(2-methylbuta-1,3-dienyl)thiophen-2(5H)-one::5R-Thiolactomycin::CHEMBL399043::TLM analog, 1 3-oxoacyl-[acyl-carrier-protein] synthase 1 Mycobacterium tuberculosis 1.754e+5 8.5 Curated from the literature by BindingDB 10.1074/jbc.M112.414516 10.7270/Q2KP80S4 23306195 aid1799877 Kapilashrami, K; Bommineni, GR; Machutta, CA; Kim, P; Lai, CT; Simmerling, C; Picart, F; Tonge, PJ Institute for Chemical Biology & Drug Discovery http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50241313 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5358&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50241313&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+1&column=ki&startPg=0&Increment=50&submit=Search TLM 4C6X,2VB8,2WGE,2WGG,1FJ4 91935543 104098712 CHEMBL399043 ZINC38145872 1 MSQPSTANGGFPSVVVTAVTATTSISPDIESTWKGLLAGESGIHALEDEFVTKWDLAVKIGGHLKDPVDSHMGRLDMRRMSYVQRMGKLLGGQLWESAGSPEVDPDRFAVVVGTGLGGAERIVESYDLMNAGGPRKVSPLAVQMIMPNGAAAVIGLQLGARAGVMTPVSACSSGSEAIAHAWRQIVMGDADVAVCGGVEGPIEALPIAAFSMMRAMSTRNDEPERASRPFDKDRDGFVFGEAGALMLIETEEHAKARGAKPLARLLGAGITSDAFHMVAPAADGVRAGRAMTRSLELAGLSPADIDHVNAHGTATPIGDAAEANAIRVAGCDQAAVYAPKSALGHSIGAVGALESVLTVLTLRDGVIPPTLNYETPDPEIDLDVVAGEPRYGDYRYAVNNSFGFGGHNVALAFGRY 2WGD,2WGE,4C6U,4C6V,5LD8,6P9K,6P9L,6P9M 3-oxoacyl-[acyl-carrier-protein] synthase 1 KASA_MYCTO P9WQD8 L0T991 P63454 Q10524 201829 C\C(C=C)=C/[C@@]1(C)SC(=O)CC1=O InChI=1S/C10H12O2S/c1-4-7(2)6-10(3)8(11)5-9(12)13-10/h4,6H,1,5H2,2-3H3/b7-6+/t10-/m1/s1 PQQVKJDXGRPECL-VQCYPWCPSA-N 93045 TLM analog, 2 3-oxoacyl-[acyl-carrier-protein] synthase 1 Mycobacterium tuberculosis 4.69e+4 8.5 Curated from the literature by BindingDB 10.1074/jbc.M112.414516 10.7270/Q2KP80S4 23306195 aid1799877 Kapilashrami, K; Bommineni, GR; Machutta, CA; Kim, P; Lai, CT; Simmerling, C; Picart, F; Tonge, PJ Institute for Chemical Biology & Drug Discovery http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=93045 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5358&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=93045&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+1&column=ki&startPg=0&Increment=50&submit=Search 91899470 163340180 ZINC04846231 1 MSQPSTANGGFPSVVVTAVTATTSISPDIESTWKGLLAGESGIHALEDEFVTKWDLAVKIGGHLKDPVDSHMGRLDMRRMSYVQRMGKLLGGQLWESAGSPEVDPDRFAVVVGTGLGGAERIVESYDLMNAGGPRKVSPLAVQMIMPNGAAAVIGLQLGARAGVMTPVSACSSGSEAIAHAWRQIVMGDADVAVCGGVEGPIEALPIAAFSMMRAMSTRNDEPERASRPFDKDRDGFVFGEAGALMLIETEEHAKARGAKPLARLLGAGITSDAFHMVAPAADGVRAGRAMTRSLELAGLSPADIDHVNAHGTATPIGDAAEANAIRVAGCDQAAVYAPKSALGHSIGAVGALESVLTVLTLRDGVIPPTLNYETPDPEIDLDVVAGEPRYGDYRYAVNNSFGFGGHNVALAFGRY 2WGD,2WGE,4C6U,4C6V,5LD8,6P9K,6P9L,6P9M 3-oxoacyl-[acyl-carrier-protein] synthase 1 KASA_MYCTO P9WQD8 L0T991 P63454 Q10524 201830 CCC1C(=O)S[C@](C)(\C=C(/C)C=C)C1=O InChI=1S/C12H16O2S/c1-5-8(3)7-12(4)10(13)9(6-2)11(14)15-12/h5,7,9H,1,6H2,2-4H3/b8-7+/t9?,12-/m1/s1 PALFIRWEIHKIOY-VHKLLXMYSA-N 93046 TLM analog, 3 3-oxoacyl-[acyl-carrier-protein] synthase 1 Mycobacterium tuberculosis 3.570e+5 8.5 Curated from the literature by BindingDB 10.1074/jbc.M112.414516 10.7270/Q2KP80S4 23306195 aid1799877 Kapilashrami, K; Bommineni, GR; Machutta, CA; Kim, P; Lai, CT; Simmerling, C; Picart, F; Tonge, PJ Institute for Chemical Biology & Drug Discovery http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=93046 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5358&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=93046&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+1&column=ki&startPg=0&Increment=50&submit=Search 71468873 163340181 ZINC95921192 1 MSQPSTANGGFPSVVVTAVTATTSISPDIESTWKGLLAGESGIHALEDEFVTKWDLAVKIGGHLKDPVDSHMGRLDMRRMSYVQRMGKLLGGQLWESAGSPEVDPDRFAVVVGTGLGGAERIVESYDLMNAGGPRKVSPLAVQMIMPNGAAAVIGLQLGARAGVMTPVSACSSGSEAIAHAWRQIVMGDADVAVCGGVEGPIEALPIAAFSMMRAMSTRNDEPERASRPFDKDRDGFVFGEAGALMLIETEEHAKARGAKPLARLLGAGITSDAFHMVAPAADGVRAGRAMTRSLELAGLSPADIDHVNAHGTATPIGDAAEANAIRVAGCDQAAVYAPKSALGHSIGAVGALESVLTVLTLRDGVIPPTLNYETPDPEIDLDVVAGEPRYGDYRYAVNNSFGFGGHNVALAFGRY 2WGD,2WGE,4C6U,4C6V,5LD8,6P9K,6P9L,6P9M 3-oxoacyl-[acyl-carrier-protein] synthase 1 KASA_MYCTO P9WQD8 L0T991 P63454 Q10524 201831 CCCC1C(=O)S[C@](C)(\C=C(/C)C=C)C1=O InChI=1S/C13H18O2S/c1-5-7-10-11(14)13(4,16-12(10)15)8-9(3)6-2/h6,8,10H,2,5,7H2,1,3-4H3/b9-8+/t10?,13-/m1/s1 GVIJESVZAQVLAG-FINZDSTHSA-N 93047 TLM analog, 4 3-oxoacyl-[acyl-carrier-protein] synthase 1 Mycobacterium tuberculosis 3.050e+5 8.5 Curated from the literature by BindingDB 10.1074/jbc.M112.414516 10.7270/Q2KP80S4 23306195 aid1799877 Kapilashrami, K; Bommineni, GR; Machutta, CA; Kim, P; Lai, CT; Simmerling, C; Picart, F; Tonge, PJ Institute for Chemical Biology & Drug Discovery http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=93047 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5358&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=93047&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+1&column=ki&startPg=0&Increment=50&submit=Search 71468874 163340182 ZINC95921208 1 MSQPSTANGGFPSVVVTAVTATTSISPDIESTWKGLLAGESGIHALEDEFVTKWDLAVKIGGHLKDPVDSHMGRLDMRRMSYVQRMGKLLGGQLWESAGSPEVDPDRFAVVVGTGLGGAERIVESYDLMNAGGPRKVSPLAVQMIMPNGAAAVIGLQLGARAGVMTPVSACSSGSEAIAHAWRQIVMGDADVAVCGGVEGPIEALPIAAFSMMRAMSTRNDEPERASRPFDKDRDGFVFGEAGALMLIETEEHAKARGAKPLARLLGAGITSDAFHMVAPAADGVRAGRAMTRSLELAGLSPADIDHVNAHGTATPIGDAAEANAIRVAGCDQAAVYAPKSALGHSIGAVGALESVLTVLTLRDGVIPPTLNYETPDPEIDLDVVAGEPRYGDYRYAVNNSFGFGGHNVALAFGRY 2WGD,2WGE,4C6U,4C6V,5LD8,6P9K,6P9L,6P9M 3-oxoacyl-[acyl-carrier-protein] synthase 1 KASA_MYCTO P9WQD8 L0T991 P63454 Q10524 201832 CC(=O)C1C(=O)S[C@](C)(\C=C(/C)C=C)C1=O InChI=1S/C12H14O3S/c1-5-7(2)6-12(4)10(14)9(8(3)13)11(15)16-12/h5-6,9H,1H2,2-4H3/b7-6+/t9?,12-/m1/s1 RBQBAGMCDPGSNM-TYZVKILISA-N 93048 TLM analog, 5 3-oxoacyl-[acyl-carrier-protein] synthase 1 Mycobacterium tuberculosis 8.2e+3 8.5 Curated from the literature by BindingDB 10.1074/jbc.M112.414516 10.7270/Q2KP80S4 23306195 aid1799877 Kapilashrami, K; Bommineni, GR; Machutta, CA; Kim, P; Lai, CT; Simmerling, C; Picart, F; Tonge, PJ Institute for Chemical Biology & Drug Discovery http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=93048 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5358&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=93048&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+1&column=ki&startPg=0&Increment=50&submit=Search 71469109 163340183 ZINC96142462 1 MSQPSTANGGFPSVVVTAVTATTSISPDIESTWKGLLAGESGIHALEDEFVTKWDLAVKIGGHLKDPVDSHMGRLDMRRMSYVQRMGKLLGGQLWESAGSPEVDPDRFAVVVGTGLGGAERIVESYDLMNAGGPRKVSPLAVQMIMPNGAAAVIGLQLGARAGVMTPVSACSSGSEAIAHAWRQIVMGDADVAVCGGVEGPIEALPIAAFSMMRAMSTRNDEPERASRPFDKDRDGFVFGEAGALMLIETEEHAKARGAKPLARLLGAGITSDAFHMVAPAADGVRAGRAMTRSLELAGLSPADIDHVNAHGTATPIGDAAEANAIRVAGCDQAAVYAPKSALGHSIGAVGALESVLTVLTLRDGVIPPTLNYETPDPEIDLDVVAGEPRYGDYRYAVNNSFGFGGHNVALAFGRY 2WGD,2WGE,4C6U,4C6V,5LD8,6P9K,6P9L,6P9M 3-oxoacyl-[acyl-carrier-protein] synthase 1 KASA_MYCTO P9WQD8 L0T991 P63454 Q10524 201833 C\C(C=C)=C/[C@@]1(C)SC(=O)C(C(=O)C(F)(F)F)C1=O InChI=1S/C12H11F3O3S/c1-4-6(2)5-11(3)8(16)7(10(18)19-11)9(17)12(13,14)15/h4-5,7H,1H2,2-3H3/b6-5+/t7?,11-/m1/s1 LBTAGUWZIVHPJR-LOXSKETOSA-N 93049 TLM analog, 6 3-oxoacyl-[acyl-carrier-protein] synthase 1 Mycobacterium tuberculosis 1.21e+4 8.5 Curated from the literature by BindingDB 10.1074/jbc.M112.414516 10.7270/Q2KP80S4 23306195 aid1799877 Kapilashrami, K; Bommineni, GR; Machutta, CA; Kim, P; Lai, CT; Simmerling, C; Picart, F; Tonge, PJ Institute for Chemical Biology & Drug Discovery http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=93049 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5358&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=93049&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+1&column=ki&startPg=0&Increment=50&submit=Search 71469110 163340184 ZINC95920523 1 MSQPSTANGGFPSVVVTAVTATTSISPDIESTWKGLLAGESGIHALEDEFVTKWDLAVKIGGHLKDPVDSHMGRLDMRRMSYVQRMGKLLGGQLWESAGSPEVDPDRFAVVVGTGLGGAERIVESYDLMNAGGPRKVSPLAVQMIMPNGAAAVIGLQLGARAGVMTPVSACSSGSEAIAHAWRQIVMGDADVAVCGGVEGPIEALPIAAFSMMRAMSTRNDEPERASRPFDKDRDGFVFGEAGALMLIETEEHAKARGAKPLARLLGAGITSDAFHMVAPAADGVRAGRAMTRSLELAGLSPADIDHVNAHGTATPIGDAAEANAIRVAGCDQAAVYAPKSALGHSIGAVGALESVLTVLTLRDGVIPPTLNYETPDPEIDLDVVAGEPRYGDYRYAVNNSFGFGGHNVALAFGRY 2WGD,2WGE,4C6U,4C6V,5LD8,6P9K,6P9L,6P9M 3-oxoacyl-[acyl-carrier-protein] synthase 1 KASA_MYCTO P9WQD8 L0T991 P63454 Q10524 201834 CCCC(=O)C1C(=O)S[C@](C)(\C=C(/C)C=C)C1=O InChI=1S/C14H18O3S/c1-5-7-10(15)11-12(16)14(4,18-13(11)17)8-9(3)6-2/h6,8,11H,2,5,7H2,1,3-4H3/b9-8+/t11?,14-/m1/s1 QVJZZPMYODJJHJ-GWAQAJAASA-N 93050 TLM analog, 7 3-oxoacyl-[acyl-carrier-protein] synthase 1 Mycobacterium tuberculosis 6.52e+4 8.5 Curated from the literature by BindingDB 10.1074/jbc.M112.414516 10.7270/Q2KP80S4 23306195 aid1799877 Kapilashrami, K; Bommineni, GR; Machutta, CA; Kim, P; Lai, CT; Simmerling, C; Picart, F; Tonge, PJ Institute for Chemical Biology & Drug Discovery http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=93050 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5358&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=93050&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+1&column=ki&startPg=0&Increment=50&submit=Search 71469112 163340185 ZINC96142463 1 MSQPSTANGGFPSVVVTAVTATTSISPDIESTWKGLLAGESGIHALEDEFVTKWDLAVKIGGHLKDPVDSHMGRLDMRRMSYVQRMGKLLGGQLWESAGSPEVDPDRFAVVVGTGLGGAERIVESYDLMNAGGPRKVSPLAVQMIMPNGAAAVIGLQLGARAGVMTPVSACSSGSEAIAHAWRQIVMGDADVAVCGGVEGPIEALPIAAFSMMRAMSTRNDEPERASRPFDKDRDGFVFGEAGALMLIETEEHAKARGAKPLARLLGAGITSDAFHMVAPAADGVRAGRAMTRSLELAGLSPADIDHVNAHGTATPIGDAAEANAIRVAGCDQAAVYAPKSALGHSIGAVGALESVLTVLTLRDGVIPPTLNYETPDPEIDLDVVAGEPRYGDYRYAVNNSFGFGGHNVALAFGRY 2WGD,2WGE,4C6U,4C6V,5LD8,6P9K,6P9L,6P9M 3-oxoacyl-[acyl-carrier-protein] synthase 1 KASA_MYCTO P9WQD8 L0T991 P63454 Q10524 201835 COC(=O)C1C(=O)S[C@](C)(\C=C(/C)C=C)C1=O InChI=1S/C12H14O4S/c1-5-7(2)6-12(3)9(13)8(10(14)16-4)11(15)17-12/h5-6,8H,1H2,2-4H3/b7-6+/t8?,12-/m1/s1 HVZBKCZSQRQCCD-UPHFVGOQSA-N 93051 TLM analog, 8 3-oxoacyl-[acyl-carrier-protein] synthase 1 Mycobacterium tuberculosis 2.19e+4 8.5 Curated from the literature by BindingDB 10.1074/jbc.M112.414516 10.7270/Q2KP80S4 23306195 aid1799877 Kapilashrami, K; Bommineni, GR; Machutta, CA; Kim, P; Lai, CT; Simmerling, C; Picart, F; Tonge, PJ Institute for Chemical Biology & Drug Discovery http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=93051 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5358&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=93051&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+1&column=ki&startPg=0&Increment=50&submit=Search 71469111 163340186 ZINC96142464 1 MSQPSTANGGFPSVVVTAVTATTSISPDIESTWKGLLAGESGIHALEDEFVTKWDLAVKIGGHLKDPVDSHMGRLDMRRMSYVQRMGKLLGGQLWESAGSPEVDPDRFAVVVGTGLGGAERIVESYDLMNAGGPRKVSPLAVQMIMPNGAAAVIGLQLGARAGVMTPVSACSSGSEAIAHAWRQIVMGDADVAVCGGVEGPIEALPIAAFSMMRAMSTRNDEPERASRPFDKDRDGFVFGEAGALMLIETEEHAKARGAKPLARLLGAGITSDAFHMVAPAADGVRAGRAMTRSLELAGLSPADIDHVNAHGTATPIGDAAEANAIRVAGCDQAAVYAPKSALGHSIGAVGALESVLTVLTLRDGVIPPTLNYETPDPEIDLDVVAGEPRYGDYRYAVNNSFGFGGHNVALAFGRY 2WGD,2WGE,4C6U,4C6V,5LD8,6P9K,6P9L,6P9M 3-oxoacyl-[acyl-carrier-protein] synthase 1 KASA_MYCTO P9WQD8 L0T991 P63454 Q10524 201836 CCCCCCCCCCCCCCCC(=O)C1C(=O)S[C@](C)(\C=C(/C)C=C)C1=O InChI=1S/C26H42O3S/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-22(27)23-24(28)26(4,30-25(23)29)20-21(3)6-2/h6,20,23H,2,5,7-19H2,1,3-4H3/b21-20+/t23?,26-/m1/s1 YMGSVIMGHXFXPY-LJEDXKSWSA-N 93052 TLM analog, 9 3-oxoacyl-[acyl-carrier-protein] synthase 1 Mycobacterium tuberculosis 1.050e+5 8.5 Curated from the literature by BindingDB 10.1074/jbc.M112.414516 10.7270/Q2KP80S4 23306195 aid1799877 Kapilashrami, K; Bommineni, GR; Machutta, CA; Kim, P; Lai, CT; Simmerling, C; Picart, F; Tonge, PJ Institute for Chemical Biology & Drug Discovery http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=93052 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5358&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=93052&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+1&column=ki&startPg=0&Increment=50&submit=Search 71469115 163340187 ZINC96142465 1 MSQPSTANGGFPSVVVTAVTATTSISPDIESTWKGLLAGESGIHALEDEFVTKWDLAVKIGGHLKDPVDSHMGRLDMRRMSYVQRMGKLLGGQLWESAGSPEVDPDRFAVVVGTGLGGAERIVESYDLMNAGGPRKVSPLAVQMIMPNGAAAVIGLQLGARAGVMTPVSACSSGSEAIAHAWRQIVMGDADVAVCGGVEGPIEALPIAAFSMMRAMSTRNDEPERASRPFDKDRDGFVFGEAGALMLIETEEHAKARGAKPLARLLGAGITSDAFHMVAPAADGVRAGRAMTRSLELAGLSPADIDHVNAHGTATPIGDAAEANAIRVAGCDQAAVYAPKSALGHSIGAVGALESVLTVLTLRDGVIPPTLNYETPDPEIDLDVVAGEPRYGDYRYAVNNSFGFGGHNVALAFGRY 2WGD,2WGE,4C6U,4C6V,5LD8,6P9K,6P9L,6P9M 3-oxoacyl-[acyl-carrier-protein] synthase 1 KASA_MYCTO P9WQD8 L0T991 P63454 Q10524 201837 C\C(C=C)=C/[C@@]1(C)SC(=O)C(C(=O)c2ccccc2C(O)=O)C1=O InChI=1S/C18H16O5S/c1-4-10(2)9-18(3)15(20)13(17(23)24-18)14(19)11-7-5-6-8-12(11)16(21)22/h4-9,13H,1H2,2-3H3,(H,21,22)/b10-9+/t13?,18-/m1/s1 LEWHIERVPUBVJY-KFQIJPICSA-N 93053 TLM analog, 10 3-oxoacyl-[acyl-carrier-protein] synthase 1 Mycobacterium tuberculosis 1.020e+5 8.5 Curated from the literature by BindingDB 10.1074/jbc.M112.414516 10.7270/Q2KP80S4 23306195 aid1799877 Kapilashrami, K; Bommineni, GR; Machutta, CA; Kim, P; Lai, CT; Simmerling, C; Picart, F; Tonge, PJ Institute for Chemical Biology & Drug Discovery http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=93053 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5358&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=93053&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+1&column=ki&startPg=0&Increment=50&submit=Search 71469113 163340188 ZINC96142466 1 MSQPSTANGGFPSVVVTAVTATTSISPDIESTWKGLLAGESGIHALEDEFVTKWDLAVKIGGHLKDPVDSHMGRLDMRRMSYVQRMGKLLGGQLWESAGSPEVDPDRFAVVVGTGLGGAERIVESYDLMNAGGPRKVSPLAVQMIMPNGAAAVIGLQLGARAGVMTPVSACSSGSEAIAHAWRQIVMGDADVAVCGGVEGPIEALPIAAFSMMRAMSTRNDEPERASRPFDKDRDGFVFGEAGALMLIETEEHAKARGAKPLARLLGAGITSDAFHMVAPAADGVRAGRAMTRSLELAGLSPADIDHVNAHGTATPIGDAAEANAIRVAGCDQAAVYAPKSALGHSIGAVGALESVLTVLTLRDGVIPPTLNYETPDPEIDLDVVAGEPRYGDYRYAVNNSFGFGGHNVALAFGRY 2WGD,2WGE,4C6U,4C6V,5LD8,6P9K,6P9L,6P9M 3-oxoacyl-[acyl-carrier-protein] synthase 1 KASA_MYCTO P9WQD8 L0T991 P63454 Q10524 201838 C\C(C=C)=C/[C@@]1(C)SC(=O)C(C(=O)CCCCc2ccc(cc2)-c2ccccc2)C1=O InChI=1S/C27H28O3S/c1-4-19(2)18-27(3)25(29)24(26(30)31-27)23(28)13-9-8-10-20-14-16-22(17-15-20)21-11-6-5-7-12-21/h4-7,11-12,14-18,24H,1,8-10,13H2,2-3H3/b19-18+/t24?,27-/m1/s1 XJQYCNCLMDVHPJ-ALSKQQAQSA-N 93054 TLM analog, 11 3-oxoacyl-[acyl-carrier-protein] synthase 1 Mycobacterium tuberculosis 8.0e+3 8.5 Curated from the literature by BindingDB 10.1074/jbc.M112.414516 10.7270/Q2KP80S4 23306195 aid1799877 Kapilashrami, K; Bommineni, GR; Machutta, CA; Kim, P; Lai, CT; Simmerling, C; Picart, F; Tonge, PJ Institute for Chemical Biology & Drug Discovery http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=93054 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5358&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=93054&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+1&column=ki&startPg=0&Increment=50&submit=Search 71469217 163340189 ZINC96142467 1 MSQPSTANGGFPSVVVTAVTATTSISPDIESTWKGLLAGESGIHALEDEFVTKWDLAVKIGGHLKDPVDSHMGRLDMRRMSYVQRMGKLLGGQLWESAGSPEVDPDRFAVVVGTGLGGAERIVESYDLMNAGGPRKVSPLAVQMIMPNGAAAVIGLQLGARAGVMTPVSACSSGSEAIAHAWRQIVMGDADVAVCGGVEGPIEALPIAAFSMMRAMSTRNDEPERASRPFDKDRDGFVFGEAGALMLIETEEHAKARGAKPLARLLGAGITSDAFHMVAPAADGVRAGRAMTRSLELAGLSPADIDHVNAHGTATPIGDAAEANAIRVAGCDQAAVYAPKSALGHSIGAVGALESVLTVLTLRDGVIPPTLNYETPDPEIDLDVVAGEPRYGDYRYAVNNSFGFGGHNVALAFGRY 2WGD,2WGE,4C6U,4C6V,5LD8,6P9K,6P9L,6P9M 3-oxoacyl-[acyl-carrier-protein] synthase 1 KASA_MYCTO P9WQD8 L0T991 P63454 Q10524 201839 C\C(C=C)=C/[C@@]1(C)SC(=O)C(CCc2ccc(Cl)cc2)C1=O InChI=1S/C18H19ClO2S/c1-4-12(2)11-18(3)16(20)15(17(21)22-18)10-7-13-5-8-14(19)9-6-13/h4-6,8-9,11,15H,1,7,10H2,2-3H3/b12-11+/t15?,18-/m1/s1 WONGNGQOBDPUJJ-SCUUZNOZSA-N 93055 TLM analog, 12 3-oxoacyl-[acyl-carrier-protein] synthase 1 Mycobacterium tuberculosis >4.00e+5 8.5 Curated from the literature by BindingDB 10.1074/jbc.M112.414516 10.7270/Q2KP80S4 23306195 aid1799877 Kapilashrami, K; Bommineni, GR; Machutta, CA; Kim, P; Lai, CT; Simmerling, C; Picart, F; Tonge, PJ Institute for Chemical Biology & Drug Discovery http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=93055 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5358&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=93055&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+1&column=ki&startPg=0&Increment=50&submit=Search 71468991 163340190 ZINC96142468 1 MSQPSTANGGFPSVVVTAVTATTSISPDIESTWKGLLAGESGIHALEDEFVTKWDLAVKIGGHLKDPVDSHMGRLDMRRMSYVQRMGKLLGGQLWESAGSPEVDPDRFAVVVGTGLGGAERIVESYDLMNAGGPRKVSPLAVQMIMPNGAAAVIGLQLGARAGVMTPVSACSSGSEAIAHAWRQIVMGDADVAVCGGVEGPIEALPIAAFSMMRAMSTRNDEPERASRPFDKDRDGFVFGEAGALMLIETEEHAKARGAKPLARLLGAGITSDAFHMVAPAADGVRAGRAMTRSLELAGLSPADIDHVNAHGTATPIGDAAEANAIRVAGCDQAAVYAPKSALGHSIGAVGALESVLTVLTLRDGVIPPTLNYETPDPEIDLDVVAGEPRYGDYRYAVNNSFGFGGHNVALAFGRY 2WGD,2WGE,4C6U,4C6V,5LD8,6P9K,6P9L,6P9M 3-oxoacyl-[acyl-carrier-protein] synthase 1 KASA_MYCTO P9WQD8 L0T991 P63454 Q10524 201840 C\C(C=C)=C/[C@@]1(C)SC(=O)C(CCc2ccc(C)cc2)C1=O InChI=1S/C19H22O2S/c1-5-13(2)12-19(4)17(20)16(18(21)22-19)11-10-15-8-6-14(3)7-9-15/h5-9,12,16H,1,10-11H2,2-4H3/b13-12+/t16?,19-/m1/s1 KHDAKOYCGCOQIF-COTHKEICSA-N 93056 TLM analog, 13 3-oxoacyl-[acyl-carrier-protein] synthase 1 Mycobacterium tuberculosis 9.28e+4 8.5 Curated from the literature by BindingDB 10.1074/jbc.M112.414516 10.7270/Q2KP80S4 23306195 aid1799877 Kapilashrami, K; Bommineni, GR; Machutta, CA; Kim, P; Lai, CT; Simmerling, C; Picart, F; Tonge, PJ Institute for Chemical Biology & Drug Discovery http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=93056 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5358&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=93056&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+1&column=ki&startPg=0&Increment=50&submit=Search 71468875 163340191 ZINC96142469 1 MSQPSTANGGFPSVVVTAVTATTSISPDIESTWKGLLAGESGIHALEDEFVTKWDLAVKIGGHLKDPVDSHMGRLDMRRMSYVQRMGKLLGGQLWESAGSPEVDPDRFAVVVGTGLGGAERIVESYDLMNAGGPRKVSPLAVQMIMPNGAAAVIGLQLGARAGVMTPVSACSSGSEAIAHAWRQIVMGDADVAVCGGVEGPIEALPIAAFSMMRAMSTRNDEPERASRPFDKDRDGFVFGEAGALMLIETEEHAKARGAKPLARLLGAGITSDAFHMVAPAADGVRAGRAMTRSLELAGLSPADIDHVNAHGTATPIGDAAEANAIRVAGCDQAAVYAPKSALGHSIGAVGALESVLTVLTLRDGVIPPTLNYETPDPEIDLDVVAGEPRYGDYRYAVNNSFGFGGHNVALAFGRY 2WGD,2WGE,4C6U,4C6V,5LD8,6P9K,6P9L,6P9M 3-oxoacyl-[acyl-carrier-protein] synthase 1 KASA_MYCTO P9WQD8 L0T991 P63454 Q10524 201841 C\C(C=C)=C/[C@@]1(C)SC(=O)C(CCCCc2ccc(F)cc2)C1=O InChI=1S/C20H23FO2S/c1-4-14(2)13-20(3)18(22)17(19(23)24-20)8-6-5-7-15-9-11-16(21)12-10-15/h4,9-13,17H,1,5-8H2,2-3H3/b14-13+/t17?,20-/m1/s1 JOPYNZZWZRBJJU-SUUVYPJQSA-N 93057 TLM analog, 14 3-oxoacyl-[acyl-carrier-protein] synthase 1 Mycobacterium tuberculosis 6.90e+4 8.5 Curated from the literature by BindingDB 10.1074/jbc.M112.414516 10.7270/Q2KP80S4 23306195 aid1799877 Kapilashrami, K; Bommineni, GR; Machutta, CA; Kim, P; Lai, CT; Simmerling, C; Picart, F; Tonge, PJ Institute for Chemical Biology & Drug Discovery http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=93057 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5358&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=93057&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+1&column=ki&startPg=0&Increment=50&submit=Search 71468876 163340192 ZINC96142470 1 MSQPSTANGGFPSVVVTAVTATTSISPDIESTWKGLLAGESGIHALEDEFVTKWDLAVKIGGHLKDPVDSHMGRLDMRRMSYVQRMGKLLGGQLWESAGSPEVDPDRFAVVVGTGLGGAERIVESYDLMNAGGPRKVSPLAVQMIMPNGAAAVIGLQLGARAGVMTPVSACSSGSEAIAHAWRQIVMGDADVAVCGGVEGPIEALPIAAFSMMRAMSTRNDEPERASRPFDKDRDGFVFGEAGALMLIETEEHAKARGAKPLARLLGAGITSDAFHMVAPAADGVRAGRAMTRSLELAGLSPADIDHVNAHGTATPIGDAAEANAIRVAGCDQAAVYAPKSALGHSIGAVGALESVLTVLTLRDGVIPPTLNYETPDPEIDLDVVAGEPRYGDYRYAVNNSFGFGGHNVALAFGRY 2WGD,2WGE,4C6U,4C6V,5LD8,6P9K,6P9L,6P9M 3-oxoacyl-[acyl-carrier-protein] synthase 1 KASA_MYCTO P9WQD8 L0T991 P63454 Q10524 201842 C\C(C=C)=C/[C@@]1(C)SC(=O)C(CCCCc2ccc(Cl)cc2)C1=O InChI=1S/C20H23ClO2S/c1-4-14(2)13-20(3)18(22)17(19(23)24-20)8-6-5-7-15-9-11-16(21)12-10-15/h4,9-13,17H,1,5-8H2,2-3H3/b14-13+/t17?,20-/m1/s1 HXZMXQFFGIBWDS-SUUVYPJQSA-N 93058 TLM analog, 15 3-oxoacyl-[acyl-carrier-protein] synthase 1 Mycobacterium tuberculosis 7.74e+4 8.5 Curated from the literature by BindingDB 10.1074/jbc.M112.414516 10.7270/Q2KP80S4 23306195 aid1799877 Kapilashrami, K; Bommineni, GR; Machutta, CA; Kim, P; Lai, CT; Simmerling, C; Picart, F; Tonge, PJ Institute for Chemical Biology & Drug Discovery http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=93058 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5358&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=93058&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+1&column=ki&startPg=0&Increment=50&submit=Search 71468877 163340193 ZINC96142471 1 MSQPSTANGGFPSVVVTAVTATTSISPDIESTWKGLLAGESGIHALEDEFVTKWDLAVKIGGHLKDPVDSHMGRLDMRRMSYVQRMGKLLGGQLWESAGSPEVDPDRFAVVVGTGLGGAERIVESYDLMNAGGPRKVSPLAVQMIMPNGAAAVIGLQLGARAGVMTPVSACSSGSEAIAHAWRQIVMGDADVAVCGGVEGPIEALPIAAFSMMRAMSTRNDEPERASRPFDKDRDGFVFGEAGALMLIETEEHAKARGAKPLARLLGAGITSDAFHMVAPAADGVRAGRAMTRSLELAGLSPADIDHVNAHGTATPIGDAAEANAIRVAGCDQAAVYAPKSALGHSIGAVGALESVLTVLTLRDGVIPPTLNYETPDPEIDLDVVAGEPRYGDYRYAVNNSFGFGGHNVALAFGRY 2WGD,2WGE,4C6U,4C6V,5LD8,6P9K,6P9L,6P9M 3-oxoacyl-[acyl-carrier-protein] synthase 1 KASA_MYCTO P9WQD8 L0T991 P63454 Q10524 201843 C\C(C=C)=C/[C@@]1(C)SC(=O)C(CCCCc2ccc(cc2)-c2ccccc2)C1=O InChI=1S/C26H28O2S/c1-4-19(2)18-26(3)24(27)23(25(28)29-26)13-9-8-10-20-14-16-22(17-15-20)21-11-6-5-7-12-21/h4-7,11-12,14-18,23H,1,8-10,13H2,2-3H3/b19-18+/t23?,26-/m1/s1 TWMGOUPVJCORNJ-VBJKEIQOSA-N 93059 TLM analog, 16 3-oxoacyl-[acyl-carrier-protein] synthase 1 Mycobacterium tuberculosis 1.38e+4 8.5 Curated from the literature by BindingDB 10.1074/jbc.M112.414516 10.7270/Q2KP80S4 23306195 aid1799877 Kapilashrami, K; Bommineni, GR; Machutta, CA; Kim, P; Lai, CT; Simmerling, C; Picart, F; Tonge, PJ Institute for Chemical Biology & Drug Discovery http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=93059 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5358&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=93059&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+1&column=ki&startPg=0&Increment=50&submit=Search 71468989 163340194 ZINC96142472 1 MSQPSTANGGFPSVVVTAVTATTSISPDIESTWKGLLAGESGIHALEDEFVTKWDLAVKIGGHLKDPVDSHMGRLDMRRMSYVQRMGKLLGGQLWESAGSPEVDPDRFAVVVGTGLGGAERIVESYDLMNAGGPRKVSPLAVQMIMPNGAAAVIGLQLGARAGVMTPVSACSSGSEAIAHAWRQIVMGDADVAVCGGVEGPIEALPIAAFSMMRAMSTRNDEPERASRPFDKDRDGFVFGEAGALMLIETEEHAKARGAKPLARLLGAGITSDAFHMVAPAADGVRAGRAMTRSLELAGLSPADIDHVNAHGTATPIGDAAEANAIRVAGCDQAAVYAPKSALGHSIGAVGALESVLTVLTLRDGVIPPTLNYETPDPEIDLDVVAGEPRYGDYRYAVNNSFGFGGHNVALAFGRY 2WGD,2WGE,4C6U,4C6V,5LD8,6P9K,6P9L,6P9M 3-oxoacyl-[acyl-carrier-protein] synthase 1 KASA_MYCTO P9WQD8 L0T991 P63454 Q10524 201844 C\C(C=C)=C/[C@@]1(C)SC(=O)C(CCCCn2cc(CNC(=O)c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3)nn2)C1=O InChI=1S/C30H32FN5O5S2/c1-4-20(2)17-30(3)27(37)26(29(39)42-30)7-5-6-16-36-19-24(33-35-36)18-32-28(38)21-8-12-23(13-9-21)34-43(40,41)25-14-10-22(31)11-15-25/h4,8-15,17,19,26,34H,1,5-7,16,18H2,2-3H3,(H,32,38)/b20-17+/t26?,30-/m1/s1 SFTNQHNZAPUJDO-RCOKJCLFSA-N 93060 TLM analog, 17 3-oxoacyl-[acyl-carrier-protein] synthase 1 Mycobacterium tuberculosis 3.20e+4 8.5 Curated from the literature by BindingDB 10.1074/jbc.M112.414516 10.7270/Q2KP80S4 23306195 aid1799877 Kapilashrami, K; Bommineni, GR; Machutta, CA; Kim, P; Lai, CT; Simmerling, C; Picart, F; Tonge, PJ Institute for Chemical Biology & Drug Discovery http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=93060 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5358&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=93060&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+1&column=ki&startPg=0&Increment=50&submit=Search 71468994 163340195 ZINC96142473 1 MSQPSTANGGFPSVVVTAVTATTSISPDIESTWKGLLAGESGIHALEDEFVTKWDLAVKIGGHLKDPVDSHMGRLDMRRMSYVQRMGKLLGGQLWESAGSPEVDPDRFAVVVGTGLGGAERIVESYDLMNAGGPRKVSPLAVQMIMPNGAAAVIGLQLGARAGVMTPVSACSSGSEAIAHAWRQIVMGDADVAVCGGVEGPIEALPIAAFSMMRAMSTRNDEPERASRPFDKDRDGFVFGEAGALMLIETEEHAKARGAKPLARLLGAGITSDAFHMVAPAADGVRAGRAMTRSLELAGLSPADIDHVNAHGTATPIGDAAEANAIRVAGCDQAAVYAPKSALGHSIGAVGALESVLTVLTLRDGVIPPTLNYETPDPEIDLDVVAGEPRYGDYRYAVNNSFGFGGHNVALAFGRY 2WGD,2WGE,4C6U,4C6V,5LD8,6P9K,6P9L,6P9M 3-oxoacyl-[acyl-carrier-protein] synthase 1 KASA_MYCTO P9WQD8 L0T991 P63454 Q10524 201845 CC1C(=O)S[C@](C)(\C=C(/C)C=C)C1=O InChI=1S/C11H14O2S/c1-5-7(2)6-11(4)9(12)8(3)10(13)14-11/h5-6,8H,1H2,2-4H3/b7-6+/t8?,11-/m1/s1 IKJRVRCIDNWYPZ-CXQVHHQOSA-N 50241313 (5R)-4-hydroxy-3,5-dimethyl-5-[(1E)-2-methylbuta-1,3-dienyl]thiophen-2(5H)-one::(R)-(+)-Thiolactomycin::(R)-4-Hydroxy-3,5-dimethyl-5-((E)-2-methyl-buta-1,3-dienyl)-5H-thiophen-2-one::(R,E)-4-hydroxy-3,5-dimethyl-5-(2-methylbuta-1,3-dienyl)thiophen-2(5H)-one::5R-Thiolactomycin::CHEMBL399043::TLM analog, 1 3-oxoacyl-[acyl-carrier-protein] synthase 1 Mycobacterium tuberculosis 1.9e+3 8.5 Curated from the literature by BindingDB 10.1074/jbc.M112.414516 10.7270/Q2KP80S4 23306195 aid1799877 Kapilashrami, K; Bommineni, GR; Machutta, CA; Kim, P; Lai, CT; Simmerling, C; Picart, F; Tonge, PJ Institute for Chemical Biology & Drug Discovery http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50241313 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5358&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50241313&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+1&column=ki&startPg=0&Increment=50&submit=Search TLM 4C6X,2VB8,2WGE,2WGG,1FJ4 91935543 104098712 CHEMBL399043 ZINC38145872 1 MSQPSTANGGFPSVVVTAVTATTSISPDIESTWKGLLAGESGIHALEDEFVTKWDLAVKIGGHLKDPVDSHMGRLDMRRMSYVQRMGKLLGGQLWESAGSPEVDPDRFAVVVGTGLGGAERIVESYDLMNAGGPRKVSPLAVQMIMPNGAAAVIGLQLGARAGVMTPVSACSSGSEAIAHAWRQIVMGDADVAVCGGVEGPIEALPIAAFSMMRAMSTRNDEPERASRPFDKDRDGFVFGEAGALMLIETEEHAKARGAKPLARLLGAGITSDAFHMVAPAADGVRAGRAMTRSLELAGLSPADIDHVNAHGTATPIGDAAEANAIRVAGCDQAAVYAPKSALGHSIGAVGALESVLTVLTLRDGVIPPTLNYETPDPEIDLDVVAGEPRYGDYRYAVNNSFGFGGHNVALAFGRY 2WGD,2WGE,4C6U,4C6V,5LD8,6P9K,6P9L,6P9M 3-oxoacyl-[acyl-carrier-protein] synthase 1 KASA_MYCTO P9WQD8 L0T991 P63454 Q10524 201846 CCC1C(=O)S[C@](C)(\C=C(/C)C=C)C1=O InChI=1S/C12H16O2S/c1-5-8(3)7-12(4)10(13)9(6-2)11(14)15-12/h5,7,9H,1,6H2,2-4H3/b8-7+/t9?,12-/m1/s1 PALFIRWEIHKIOY-VHKLLXMYSA-N 93046 TLM analog, 3 3-oxoacyl-[acyl-carrier-protein] synthase 1 Mycobacterium tuberculosis 7.1e+3 8.5 Curated from the literature by BindingDB 10.1074/jbc.M112.414516 10.7270/Q2KP80S4 23306195 aid1799877 Kapilashrami, K; Bommineni, GR; Machutta, CA; Kim, P; Lai, CT; Simmerling, C; Picart, F; Tonge, PJ Institute for Chemical Biology & Drug Discovery http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=93046 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5358&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=93046&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+1&column=ki&startPg=0&Increment=50&submit=Search 71468873 163340181 ZINC95921192 1 MSQPSTANGGFPSVVVTAVTATTSISPDIESTWKGLLAGESGIHALEDEFVTKWDLAVKIGGHLKDPVDSHMGRLDMRRMSYVQRMGKLLGGQLWESAGSPEVDPDRFAVVVGTGLGGAERIVESYDLMNAGGPRKVSPLAVQMIMPNGAAAVIGLQLGARAGVMTPVSACSSGSEAIAHAWRQIVMGDADVAVCGGVEGPIEALPIAAFSMMRAMSTRNDEPERASRPFDKDRDGFVFGEAGALMLIETEEHAKARGAKPLARLLGAGITSDAFHMVAPAADGVRAGRAMTRSLELAGLSPADIDHVNAHGTATPIGDAAEANAIRVAGCDQAAVYAPKSALGHSIGAVGALESVLTVLTLRDGVIPPTLNYETPDPEIDLDVVAGEPRYGDYRYAVNNSFGFGGHNVALAFGRY 2WGD,2WGE,4C6U,4C6V,5LD8,6P9K,6P9L,6P9M 3-oxoacyl-[acyl-carrier-protein] synthase 1 KASA_MYCTO P9WQD8 L0T991 P63454 Q10524 201847 CCCC1C(=O)S[C@](C)(\C=C(/C)C=C)C1=O InChI=1S/C13H18O2S/c1-5-7-10-11(14)13(4,16-12(10)15)8-9(3)6-2/h6,8,10H,2,5,7H2,1,3-4H3/b9-8+/t10?,13-/m1/s1 GVIJESVZAQVLAG-FINZDSTHSA-N 93047 TLM analog, 4 3-oxoacyl-[acyl-carrier-protein] synthase 1 Mycobacterium tuberculosis 1.60e+4 8.5 Curated from the literature by BindingDB 10.1074/jbc.M112.414516 10.7270/Q2KP80S4 23306195 aid1799877 Kapilashrami, K; Bommineni, GR; Machutta, CA; Kim, P; Lai, CT; Simmerling, C; Picart, F; Tonge, PJ Institute for Chemical Biology & Drug Discovery http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=93047 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5358&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=93047&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+1&column=ki&startPg=0&Increment=50&submit=Search 71468874 163340182 ZINC95921208 1 MSQPSTANGGFPSVVVTAVTATTSISPDIESTWKGLLAGESGIHALEDEFVTKWDLAVKIGGHLKDPVDSHMGRLDMRRMSYVQRMGKLLGGQLWESAGSPEVDPDRFAVVVGTGLGGAERIVESYDLMNAGGPRKVSPLAVQMIMPNGAAAVIGLQLGARAGVMTPVSACSSGSEAIAHAWRQIVMGDADVAVCGGVEGPIEALPIAAFSMMRAMSTRNDEPERASRPFDKDRDGFVFGEAGALMLIETEEHAKARGAKPLARLLGAGITSDAFHMVAPAADGVRAGRAMTRSLELAGLSPADIDHVNAHGTATPIGDAAEANAIRVAGCDQAAVYAPKSALGHSIGAVGALESVLTVLTLRDGVIPPTLNYETPDPEIDLDVVAGEPRYGDYRYAVNNSFGFGGHNVALAFGRY 2WGD,2WGE,4C6U,4C6V,5LD8,6P9K,6P9L,6P9M 3-oxoacyl-[acyl-carrier-protein] synthase 1 KASA_MYCTO P9WQD8 L0T991 P63454 Q10524 201848 CC(=O)C1C(=O)S[C@](C)(\C=C(/C)C=C)C1=O InChI=1S/C12H14O3S/c1-5-7(2)6-12(4)10(14)9(8(3)13)11(15)16-12/h5-6,9H,1H2,2-4H3/b7-6+/t9?,12-/m1/s1 RBQBAGMCDPGSNM-TYZVKILISA-N 93048 TLM analog, 5 3-oxoacyl-[acyl-carrier-protein] synthase 1 Mycobacterium tuberculosis 9e+2 8.5 Curated from the literature by BindingDB 10.1074/jbc.M112.414516 10.7270/Q2KP80S4 23306195 aid1799877 Kapilashrami, K; Bommineni, GR; Machutta, CA; Kim, P; Lai, CT; Simmerling, C; Picart, F; Tonge, PJ Institute for Chemical Biology & Drug Discovery http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=93048 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5358&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=93048&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+1&column=ki&startPg=0&Increment=50&submit=Search 71469109 163340183 ZINC96142462 1 MSQPSTANGGFPSVVVTAVTATTSISPDIESTWKGLLAGESGIHALEDEFVTKWDLAVKIGGHLKDPVDSHMGRLDMRRMSYVQRMGKLLGGQLWESAGSPEVDPDRFAVVVGTGLGGAERIVESYDLMNAGGPRKVSPLAVQMIMPNGAAAVIGLQLGARAGVMTPVSACSSGSEAIAHAWRQIVMGDADVAVCGGVEGPIEALPIAAFSMMRAMSTRNDEPERASRPFDKDRDGFVFGEAGALMLIETEEHAKARGAKPLARLLGAGITSDAFHMVAPAADGVRAGRAMTRSLELAGLSPADIDHVNAHGTATPIGDAAEANAIRVAGCDQAAVYAPKSALGHSIGAVGALESVLTVLTLRDGVIPPTLNYETPDPEIDLDVVAGEPRYGDYRYAVNNSFGFGGHNVALAFGRY 2WGD,2WGE,4C6U,4C6V,5LD8,6P9K,6P9L,6P9M 3-oxoacyl-[acyl-carrier-protein] synthase 1 KASA_MYCTO P9WQD8 L0T991 P63454 Q10524 201849 C\C(C=C)=C/[C@@]1(C)SC(=O)C(C(=O)C(F)(F)F)C1=O InChI=1S/C12H11F3O3S/c1-4-6(2)5-11(3)8(16)7(10(18)19-11)9(17)12(13,14)15/h4-5,7H,1H2,2-3H3/b6-5+/t7?,11-/m1/s1 LBTAGUWZIVHPJR-LOXSKETOSA-N 93049 TLM analog, 6 3-oxoacyl-[acyl-carrier-protein] synthase 1 Mycobacterium tuberculosis 4.6e+2 8.5 Curated from the literature by BindingDB 10.1074/jbc.M112.414516 10.7270/Q2KP80S4 23306195 aid1799877 Kapilashrami, K; Bommineni, GR; Machutta, CA; Kim, P; Lai, CT; Simmerling, C; Picart, F; Tonge, PJ Institute for Chemical Biology & Drug Discovery http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=93049 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5358&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=93049&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+1&column=ki&startPg=0&Increment=50&submit=Search 71469110 163340184 ZINC95920523 1 MSQPSTANGGFPSVVVTAVTATTSISPDIESTWKGLLAGESGIHALEDEFVTKWDLAVKIGGHLKDPVDSHMGRLDMRRMSYVQRMGKLLGGQLWESAGSPEVDPDRFAVVVGTGLGGAERIVESYDLMNAGGPRKVSPLAVQMIMPNGAAAVIGLQLGARAGVMTPVSACSSGSEAIAHAWRQIVMGDADVAVCGGVEGPIEALPIAAFSMMRAMSTRNDEPERASRPFDKDRDGFVFGEAGALMLIETEEHAKARGAKPLARLLGAGITSDAFHMVAPAADGVRAGRAMTRSLELAGLSPADIDHVNAHGTATPIGDAAEANAIRVAGCDQAAVYAPKSALGHSIGAVGALESVLTVLTLRDGVIPPTLNYETPDPEIDLDVVAGEPRYGDYRYAVNNSFGFGGHNVALAFGRY 2WGD,2WGE,4C6U,4C6V,5LD8,6P9K,6P9L,6P9M 3-oxoacyl-[acyl-carrier-protein] synthase 1 KASA_MYCTO P9WQD8 L0T991 P63454 Q10524